5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide

C18H20BrN3O — CID 75085732

IUPAC5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CC(c3ccc(Br)cc3)NN2)cc1
InChIInChI=1S/C18H20BrN3O/c1-12-3-9-15(10-4-12)22(2)18(23)17-11-16(20-21-17)13-5-7-14(19)8-6-13/h3-10,16-17,20-21H,11H2,1-2H3
InChIKeyKGGAIUJYXMEUBS-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.33
Rot. Bonds3

About 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75085732) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide
PubChem CID75085732
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CC(c3ccc(Br)cc3)NN2)cc1
InChIInChI=1S/C18H20BrN3O/c1-12-3-9-15(10-4-12)22(2)18(23)17-11-16(20-21-17)13-5-7-14(19)8-6-13/h3-10,16-17,20-21H,11H2,1-2H3
InChIKeyKGGAIUJYXMEUBS-UHFFFAOYSA-N
XLogP3.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide (CID 75085732) is 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide is Cc1ccc(N(C)C(=O)C2CC(c3ccc(Br)cc3)NN2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is KGGAIUJYXMEUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-12-3-9-15(10-4-12)22(2)18(23)17-11-16(20-21-17)13-5-7-14(19)8-6-13/h3-10,16-17,20-21H,11H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75085732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).